Anthra(1,9-cd)pyrazol-6-one, 2-(9-(anthraquinonylamino)-7-oxo-7H-benz(de)anthracen-3-yl)-

1-[[7-oxo-3-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)benzo[a]phenalen-9-yl]amino]anthracene-9,10-dione

CAS: 73791-27-2

Molecular Formula	`C45H23N3O4`
Molecular Weight	669.7 g/mol
LogP	9.3
Topological Polar Surface Area	98.1 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	669.1689
Heavy Atoms	52
Complexity	1480.0

Chemical Identifiers

CAS Number	73791-27-2
SMILES	`C1=CC=C2C(=C1)C3=NN(C4=CC=CC(=C43)C2=O)C5=C6C=CC=C7C6=C(C=C5)C8=C(C7=O)C=C(C=C8)NC9=CC=CC1=C9C(=O)C2=CC=CC=C2C1=O`
InChIKey	`NDVRZGRXUCSEQC-UHFFFAOYSA-N`

📖 Product Overview

Anthra(1,9-cd)pyrazol-6-one, 2-(9-(anthraquinonylamino)-7-oxo-7H-benz(de)anthracen-3-yl)- (CAS: 73791-27-2) is a chemical compound with molecular formula C45H23N3O4 and molecular weight 669.7 g/mol. Its IUPAC systematic name is 1-[[7-oxo-3-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)benzo[a]phenalen-9-yl]amino]anthracene-9,10-dione. LogP 9.3 Topological Polar Surface Area 98.1 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 3 Exact Mass 669.1689 Heavy Atoms 52 Complexity 1480.0 InChI Key: NDVRZGRXUCSEQC-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C3=NN(C4=CC=CC(=C43)C2=O)C5=C6C=CC=C7C6=C(C=C5)C8=C(C7=O)C=C(C=C8)NC9=CC=CC1=C9C(=O)C2=CC=CC=C2C1=O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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